SCHEMBL21766080

SCHEMBL21766080

O=C(NCc1ccc(Cl)cc1F)C1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC13A5 Q86YT5 2/20 0.72
EPHX2 P34913 9/20 0.66
PKM P14618 4/20 0.62
ALDH1A1 P00352 2/20 0.60
POLB P06746 1/20 0.60
GAA P10253 1/20 0.59
HTT P42858 1/20 0.59
KMT2A Q03164 1/20 0.59
LMNA P02545 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C19 P33261 1/20 0.58

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21766066 0.90 PKM (0.78) SLC13A5EPHX2PKMALDH1A1POLB
SCHEMBL20258779 0.89 SLC13A5 (0.65) SLC13A5EPHX2PKMALDH1A1POLB
SCHEMBL20258783 0.88 SLC13A5 (0.77) SLC13A5EPHX2PKMALDH1A1POLB
SCHEMBL20258780 0.88 SLC13A5 (0.77) SLC13A5EPHX2PKMALDH1A1POLB
SCHEMBL20258781 0.85 PKM (0.74) SLC13A5EPHX2PKMALDH1A1POLB
SCHEMBL20258718 0.84 SLC13A5 (1.00) SLC13A5EPHX2PKMALDH1A1POLB
SCHEMBL20258706 0.83 SLC13A5 (1.00) SLC13A5PKMALDH1A1POLBKMT2A
SCHEMBL21765926 0.81 SLC13A5 (0.69) SLC13A5EPHX2PKMALDH1A1POLB
SCHEMBL21800708 0.81 SLC13A5 (0.69) SLC13A5EPHX2PKMALDH1A1GAA
SCHEMBL20258778 0.81 PKM (0.69) SLC13A5EPHX2PKMALDH1A1GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10793522-B2 Sulfonamides as inhibitors of the uptake of extracellular citrate BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-10-06 US disclosed
EP-3551618-B1 SULFONAMIDES AS INHIBITORS OF THE UPTAKE OF EXTRACELLULAR CITRATE BOEHRINGER INGELHEIM INT (DE) 2020-09-16 EP disclosed
US-20200062708-A1 SULFONAMIDES AS INHIBITORS OF THE UPTAKE OF EXTRACELLULAR CITRATE BOEHRINGER INGELHEIM PHARMA GBMH & CO KG (DE) 2020-02-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200062708-A1 SULFONAMIDES AS INHIBITORS OF THE UPTAKE OF EXTRACELLULAR CITRATE CS, GLS, GLS2 SLC13A5 261/4885EPHX2 3210/4885PKM 452/4885
US-10793522-B2 Sulfonamides as inhibitors of the uptake of extracellular citrate CS, GLS, GLS2 SLC13A5 261/4885EPHX2 3210/4885PKM 452/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.